IBS-ZINC05345123 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 -3.4880 7.5850 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 6.0930 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 5.4750 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 4.1230 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 3.3630 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 1.9020 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 1.3060 -0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 1.2000 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.9190 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 3.2470 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 3.9820 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 5.3590 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 6.0460 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.2100 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.0060 -0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 1.9010 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 1.2220 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -0.0280 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.6980 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -0.1220 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 1.1240 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 1.7980 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -0.9780 0.3840 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -2.3600 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -0.4660 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -0.5340 1.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 8.0830 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 7.9200 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 7.8300 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 6.0660 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 3.6460 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 0.1300 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 6.3500 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 6.9250 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 5.3590 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 2.8690 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.4760 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -1.6720 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 1.5710 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 2.7710 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 -1.1530 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 0.3460 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END